• ChemBase ID: 103801
• Molecular Formular: C148H239ClN44O42
• Molecular Mass: 3342.20386
• Monoisotopic Mass: 3339.76070559
• SMILES: CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)N
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CC(C)C)C(CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CC(C)C)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)C)Cc1ccc(cc1)Cl)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N
• InChI: InChI=1S/C148H239ClN44O42/c1-19-75(14)116(144(233)184-98(55-72(8)9)132(221)175-94(119(158)208)60-109(155)201)191-141(230)107(67-195)188-136(225)103(62-111(157)203)181-133(222)97(54-71(6)7)178-134(223)99(57-81-35-41-85(198)42-36-81)179-126(215)89(29-21-24-48-151)170-124(213)90(30-22-25-49-152)173-142(231)114(73(10)11)189-120(209)76(15)167-129(218)95(52-69(2)3)176-128(217)93(45-46-108(154)200)172-123(212)88(28-20-23-47-150)169-125(214)91(31-26-50-164-147(159)160)171-131(220)96(53-70(4)5)177-127(216)92(32-27-51-165-148(161)162)174-145(234)117(78(17)196)192-138(227)100(58-82-37-43-86(199)44-38-82)180-135(224)102(61-110(156)202)182-137(226)105(64-113(206)207)186-146(235)118(79(18)197)193-139(228)101(56-80-33-39-83(149)40-34-80)185-143(232)115(74(12)13)190-121(210)77(16)168-130(219)104(63-112(204)205)183-140(229)106(66-194)187-122(211)87(153)59-84-65-163-68-166-84/h33-44,65,68-79,87-107,114-118,194-199H,19-32,45-64,66-67,150-153H2,1-18H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,208)(H,163,166)(H,167,218)(H,168,219)(H,169,214)(H,170,213)(H,171,220)(H,172,212)(H,173,231)(H,174,234)(H,175,221)(H,176,217)(H,177,216)(H,178,223)(H,179,215)(H,180,224)(H,181,222)(H,182,226)(H,183,229)(H,184,233)(H,185,232)(H,186,235)(H,187,211)(H,188,225)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H4,159,160,164)(H4,161,162,165)
• InChIKey: BUTRVBZATBJGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: His-Ser-Asp-Ala-Val-pCl-Phe-Thr-Asp-Asn-Tyr-Thr-Arg-Leu-Arg-Lys-Gln-Leu-Ala-Val-Lys-Lys-Tyr-Leu-Asn-Ser-Ile-Leu-Asn-NH₂; [D-p-Cl-Phe^6,Leu^17]-VASOACTIVE INTESTINAL PEPTIDE; His-Ser-Asp-Ala-Val-pCl-Phe-Thr-Asp-Asn-Tyr-Thr-Arg-Leu-Arg-Lys-Gln-Leu-Ala-Val-Lys-Lys-Tyr-Leu-Asn-Ser-Ile-Leu-Asn-NH₂ S; (D-p-Cl-Phe6,Leu17)-VASOACTIVE INTESTINAL PEPTIDE; [D-p-Cl-Phe6, Leu17]-VIP; [D-p-Cl-Phe6, Leu17]-Vasoactive Intestinal Peptide human, porcine, rat

Database IDs

• CAS Number: 102805-45-8
• MDL Number: MFCD00133956
• PubChem SID: 162102913; 24900747
• PubChem CID: 44134999

CALCULATED PROPERTIES

• Acid pKa: 3.185445
• H Acceptors: 53
• H Donor: 51
• LogD (pH = 5.5): -30.423811
• LogD (pH = 7.4): -27.484964
• Log P: -19.48968
• Molar Refractivity: 857.8736 cm^3
• Polarizability: 328.3914 Å^3
• Polar Surface Area: 1453.69 Å^2
• Rotatable Bonds: 112
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C; -20°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... VIP(7432)

Product Information

• Purity: ≥97% (HPLC)
• Empirical Formula (Hill Notation): C148H239ClN44O42

DETAILS

MP Biomedicals - 02198748

ource: Human
A VIP antagonist.

MP Biomedicals - 02152896

Source/Species: Porcine
A VIP antagonist.

Sigma Aldrich - V4380

Amino Acid Sequence
His-Ser-Asp-Ala-Val-Cl-Phe-Thr-Asp-Asn-Tyr-Thr-Arg-Leu-Arg-Lys-Gln-Leu-Ala-Val-Lys-Lys-Tyr-Leu-Asn-Ser-Ile-Leu-Asn-NH2
Biochem/physiol Actions
VIP receptor antagonist

REFERENCES

• Pandol, S.J., et al., Am. J. Physiol. , 250 : G553, (1986).
• Pandol, S.J., et al., Am. J. Physiol., 250: G553, (1986).